PDBx/mmCIF
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Data Category pdbx_ligscreen_investigation_screening_result

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General

Category name
pdbx_ligscreen_investigation_screening_result
Required in PDB entries
no
Category group membership
ligscreen_group
Used in current PDB entries
No

Category Relationship Diagrams

70
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Category Description 

               The PDBX_LIGSCREEN_INVESTIGATION_SCREENING_RESULT category relates experiment records to the 
               any chemical library compound-binding or fragment-binding specific information. This includes 
               the list of any chemical library ligand(s) or fragment(s) present, the assessment of the result, 
               how that assessment was made, and any depositor provided details. An 'result' item also allows 
               for the description of experiments with multiple ligand or fragment results.

Category Example

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loop_
_pdbx_ligscreen_investigation_screening_result.screening_exp_id
_pdbx_ligscreen_investigation_screening_result.result_id
_pdbx_ligscreen_investigation_screening_result.outcome
_pdbx_ligscreen_investigation_screening_result.lib_component_id
_pdbx_ligscreen_investigation_screening_result.outcome_assessment
_pdbx_ligscreen_investigation_screening_result.outcome_description
_pdbx_ligscreen_investigation_screening_result.outcome_details
exp1  1        miss           ?   automatic   Unknown                     ? 
exp2  1        partial-hit    2   automatic   "Off-site binding"          ? 
exp3  1        hit            3   manual      "On-site binding"           ? 
exp3  2        partial-hit    3   manual      "Off-site binding"          ? 
exp4  1        partial-hit    4   refined     "On-site binding"           ? 
exp5  1        hit            5   refined     "Highest affinity hit"      ? 
exp6  1        miss           ?   manual      "No diffraction"            ? 
exp7  1        miss           ?   manual      "No diffraction"            ? 
exp8  1        miss           ?   manual      "Fragment unobserved"       ?

Key Data Items

Category Data Items

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